| SpectraBase Spectrum ID |
6Myz0awfjEy |
| Name |
3-(Cyanomethyl)benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H23NO3 |
| InChI |
InChI=1S/C18H23NO3/c1-17(2,3)16(21)18(4,5)12-22-15(20)14-8-6-7-13(11-14)9-10-19/h6-8,11H,9,12H2,1-5H3 |
| InChIKey |
XCFRAWSUXWLGMV-UHFFFAOYSA-N |
| Molecular Weight |
301.386 g/mol |
| SMILES |
C(C(COC(c1cc(CC#N)ccc1)=O)(C)C)(C(C)(C)C)=O |
| SPLASH |
splash10-05mo-9860000000-2f621c6d9e22d47821e1 |
| Source of Spectrum |
KC-61-9581-10 |
| Wiley ID |
1630761 |
